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292038-54-1

292038-54-1 | 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrazole (9CI)

CAS No: 292038-54-1 Catalog No: AG002XNS MDL No:

Product Description

Catalog Number:
AG002XNS
Chemical Name:
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrazole (9CI)
CAS Number:
292038-54-1
Molecular Formula:
C15H10N2O
Molecular Weight:
234.2527
IUPAC Name:
13-oxa-3,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
InChI:
InChI=1S/C15H10N2O/c1-3-7-13-10(5-1)12-9-16-17-15(12)11-6-2-4-8-14(11)18-13/h1-9H,(H,16,17)
InChI Key:
AJGVMLCSBTVVHQ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Oc1ccccc1c1c2[nH]nc1

Properties

Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.079g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.258g/mol
Monoisotopic Mass:
234.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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